5-ethoxy-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-ethoxy-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-ethoxy-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2339-2222 |
| Compound Name: | 5-ethoxy-2-(4-nitrophenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 382.33 |
| Molecular Formula: | C18 H14 N4 O6 |
| Smiles: | CCOC1/C(=C/c2cccc(c2)[N+]([O-])=O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4701 |
| logD: | 3.4701 |
| logSw: | -3.6911 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.328 |
| InChI Key: | NRBZESQYEFGHOC-UHFFFAOYSA-N |